3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid

C14H26N2O3 — CID 65264074

IUPAC3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid
SMILESCC1(C)CCCN1C(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-12(2)8-7-9-16(12)11(19)15-14(5,6)13(3,4)10(17)18/h7-9H2,1-6H3,(H,15,19)(H,17,18)
InChIKeyOWGIAPYAWQTRPL-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.46
Rot. Bonds3

About 3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid

3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid (PubChem CID 65264074) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid
PubChem CID65264074
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid
SMILESCC1(C)CCCN1C(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-12(2)8-7-9-16(12)11(19)15-14(5,6)13(3,4)10(17)18/h7-9H2,1-6H3,(H,15,19)(H,17,18)
InChIKeyOWGIAPYAWQTRPL-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-ethylbutanoic acid
CID 79804327
3-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 65263677
1-[[(2,2-dimethylpyrrolidine-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 113311419
4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 63219024
2,2,3-trimethyl-3-[(2-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 65266023
2-(tert-butylamino)-1-(2,2-dimethylpyrrolidin-1-yl)ethanone
CID 78925727
2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64815791
2,2,3-trimethyl-3-[(2-methylazepane-1-carbonyl)amino]butanoic acid
CID 65265276
6-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-6-oxohexanoic acid
CID 63218508
1-(2,2-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 126750038
5-(2,2-dimethylpyrrolidin-1-yl)-3,3-dimethyl-5-oxopentanoic acid
CID 63219934
3-[(1-aminocyclobutanecarbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 81168617

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid (CID 65264074) is 3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid is CC1(C)CCCN1C(=O)NC(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid?
The InChIKey is OWGIAPYAWQTRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-12(2)8-7-9-16(12)11(19)15-14(5,6)13(3,4)10(17)18/h7-9H2,1-6H3,(H,15,19)(H,17,18).
What are the key properties of 3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid?
3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 65264074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).